4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one

C6H5N3OS — CID 178052726

IUPAC4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2c([nH]cnc2=S)N1
InChIInChI=1S/C6H5N3OS/c10-4-1-3-5(9-4)7-2-8-6(3)11/h2H,1H2,(H2,7,8,9,10,11)
InChIKeyQZNZDKCYYUKYQA-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.63
Rot. Bonds

About 4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one

4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 178052726) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID178052726
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2c([nH]cnc2=S)N1
InChIInChI=1S/C6H5N3OS/c10-4-1-3-5(9-4)7-2-8-6(3)11/h2H,1H2,(H2,7,8,9,10,11)
InChIKeyQZNZDKCYYUKYQA-UHFFFAOYSA-N
XLogP0.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium
CID 160543253
4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 74787751
7-sulfanylidene-4H-pyrazolo[4,3-d]pyrimidin-3-one
CID 135767390
4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 122696588
4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 126618268
sodium 2-sulfanylidene-1,3-diazinane-4,6-dione
CID 21151290
7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one
CID 167511589
4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 91663888
4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
CID 166108958
4-fluoro-6-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 76847817
1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one
CID 123880020
4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione
CID 171611550

Frequently Asked Questions

What is the IUPAC name of 4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one (CID 178052726) is 4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one is O=C1Cc2c([nH]cnc2=S)N1.
What is the InChIKey of 4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is QZNZDKCYYUKYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c10-4-1-3-5(9-4)7-2-8-6(3)11/h2H,1H2,(H2,7,8,9,10,11).
What are the key properties of 4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one?
4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 167.19 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylidene-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 178052726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).